SCHEMBL862393

SCHEMBL862393

Cc1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CCCCCCO)Cc2cc(C)cc(CN(CC(=O)O)CC(=O)O)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
TDP1 Q9NUW8 3/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL862339 0.88 CXCR4 (0.35) PPARGPPARANOS3NOS1NOS2
SCHEMBL13601031 0.87 CXCR4 (0.34) BCHEPPARGPPARANOS3NOS1
SCHEMBL11303647 0.85 TDP1 (0.38) NOS3NOS1NOS2TDP1EYA2
SCHEMBL11306734 0.83 TDP1 (0.37) PPARGPPARANOS2TDP1EYA2
SCHEMBL862379 0.80 LMNA (0.36) APPGAAHDAC3HDAC1HDAC2
SCHEMBL862173 0.78 PPARG (0.35) PPARGPPARAKDM4ELMNATSHR
SCHEMBL18674468 0.77 PPARG (0.46) PPARGPPARANOS3NOS1NOS2
SCHEMBL18677892 0.75 EPOR (0.33) TDP1EYA2APPACEPOLB
SCHEMBL18677875 0.74
SCHEMBL18674489 0.73 PPARG (0.43) BCHEPPARGPPARAKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 BCHE 2054/4885PPARG 4192/4885PPARA 3164/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 BCHE 2054/4885PPARG 4192/4885PPARA 3164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.